Mol:FL3FAGCS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.1928 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4784 -2.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2360 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2360 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4784 -0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9505 -2.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6649 -1.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6649 -0.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9505 -0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9505 -2.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9070 -0.5748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1632 2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9409 2.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 1.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6022 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 1.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3989 1.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5192 2.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9409 3.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0873 0.9589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4784 -3.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4585 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9642 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9642 0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4585 0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8599 -2.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3832 -2.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6968 -2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0345 -2.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5159 -1.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1164 -2.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4447 -2.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0397 -2.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0932 -2.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7166 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7166 -0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 1.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6932 -1.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7166 -1.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 2 1 0 0 0 0
26 38 1 0 0 0 0
25 39 1 0 0 0 0
27 40 1 0 0 0 0
41 42 1 0 0 0 0
34 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^CH2OH
M SBV 1 46 0.5768 -0.5768
S SKP 5
ID FL3FAGCS0003
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES C(C(C1O)OC(c(c4O)c(c(c(c4C(O5)C(O)C(O)C(O)C5)2)C(C=C(c(c3)cc(c(c(O)3)O)O)O2)=O)O)C(C1O)O)O
M END
